SCHEMBL27716613

SCHEMBL27716613

CC(C)(C)OOC(=O)c1ccc(/C=C/c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 3/20 0.42
NFE2L2 Q16236 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTR P02766 1/20 0.40
CES2 O00748 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2273076 0.88 NFE2L2 (0.43) ALDH1A1TDP1CYP19A1NFE2L2NPC1
SCHEMBL2273070 0.88 NFE2L2 (0.43) ALDH1A1TDP1CYP19A1NFE2L2NPC1
SCHEMBL27696781 0.87 KCNA3 (0.39) ALDH1A1TSHRHSD17B10TDP1NPC1
SCHEMBL28109747 0.79 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10TDP1NPC1
SCHEMBL12394313 0.79 PTPN1 (0.55) ALDH1A1TSHRCYP19A1NFE2L2NPC1
SCHEMBL27848577 0.78 SNCA (0.58) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL27807012 0.77 TDP1 (0.41) ALDH1A1TSHRHSD17B10TDP1RAB9A
SCHEMBL14428884 0.77 NFE2L2 (0.50) ALDH1A1CYP19A1NFE2L2NPC1RAB9A
SCHEMBL2272763 0.76 ALDH1A1 (0.51) ALDH1A1TDP1CYP19A1NFE2L2NPC1
SCHEMBL2272757 0.76 ALDH1A1 (0.51) ALDH1A1TDP1CYP19A1NFE2L2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed